N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine

C12H13F3N4 — CID 117167496

IUPACN-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
SMILESCNCCc1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H13F3N4/c1-16-7-6-9-8-19(18-17-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyUDGZYCWTQAKQIZ-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine

N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine (PubChem CID 117167496) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
PubChem CID117167496
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
SMILESCNCCc1cn(-c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C12H13F3N4/c1-16-7-6-9-8-19(18-17-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,8,16H,6-7H2,1H3
InChIKeyUDGZYCWTQAKQIZ-UHFFFAOYSA-N
XLogP2.05
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-amine
CID 117167498
2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]acetaldehyde
CID 117167443
2-cyclobutyl-2-fluoro-N-[[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]methyl]acetamide
CID 166325521
N-(1-amino-2-cyclopropylpropan-2-yl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119575873
3-benzyl-4-oxo-N-[3-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]propyl]phthalazine-1-carboxamide
CID 167859084
N-[3-(N-methylanilino)propyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 46438173
N-[[1-(2-tert-butylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66204889
2-[1-[4-bromo-2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine
CID 116641585
N-(2-phenylsulfanylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 43062908
N-propyl-1-[1-[2-(trifluoromethyl)phenyl]triazole-4-carbonyl]piperidine-4-carboxamide
CID 112819537
2-[1-[2-methyl-5-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 66476996
3-[1-(4-fluorophenyl)triazol-4-yl]-N-methylpropan-1-amine
CID 117167745

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine (CID 117167496) is N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine is CNCCc1cn(-c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
The InChIKey is UDGZYCWTQAKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-16-7-6-9-8-19(18-17-9)11-5-3-2-4-10(11)12(13,14)15/h2-5,8,16H,6-7H2,1H3.
What are the key properties of N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine?
N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine has a molecular weight of 270.26 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-(trifluoromethyl)phenyl]triazol-4-yl]ethanamine is sourced from PubChem (CID 117167496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).